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Information card for entry 1506706
Preview
| Coordinates | 1506706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H34 O3 |
|---|---|
| Calculated formula | C18 H34 O2.99 |
| SMILES | O1OC(CC21CCC(CC2)C(C)(C)C)(C)CC(CO)(C)C |
| Title of publication | Synthesis of 1,2-dioxolanes by annulation reactions of peroxycarbenium ions with alkenes. |
| Authors of publication | Ramirez, Armando; Woerpel, K. A. |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 21 |
| Pages of publication | 4617 - 4620 |
| a | 28.31 ± 0.011 Å |
| b | 6.229 ± 0.002 Å |
| c | 10.339 ± 0.004 Å |
| α | 90° |
| β | 100.58 ± 0.007° |
| γ | 90° |
| Cell volume | 1792.2 ± 1.1 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1615 |
| Weighted residual factors for all reflections included in the refinement | 0.1891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1506706.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506706.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1506706.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1506706.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506706.cif |
| 50521 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506706 via cif-deposit CGI script. |
1506706.cif |
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